N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide

C13H18N2O2S2 — CID 64989411

IUPACN-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(Cc1csc(C#CCN)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H18N2O2S2/c1-15(19(16,17)10-11-4-5-11)8-12-7-13(18-9-12)3-2-6-14/h7,9,11H,4-6,8,10,14H2,1H3
InChIKeyREIQURQPJBGPDK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.23
Rot. Bonds5

About N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide

N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide (PubChem CID 64989411) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide
PubChem CID64989411
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(Cc1csc(C#CCN)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H18N2O2S2/c1-15(19(16,17)10-11-4-5-11)8-12-7-13(18-9-12)3-2-6-14/h7,9,11H,4-6,8,10,14H2,1H3
InChIKeyREIQURQPJBGPDK-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminoprop-1-ynyl)-4-[[methyl(sulfamoyl)amino]methyl]thiophene
CID 114959539
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N,3,3-trimethylbutane-1-sulfonamide
CID 103521598
2-(3-aminoprop-1-ynyl)-4-[[methyl(propylsulfamoyl)amino]methyl]thiophene
CID 114812159
2-(3-aminoprop-1-ynyl)-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]thiophene
CID 114812155
4-[[cyclopropylsulfamoyl(methyl)amino]methyl]-2-(3-hydroxyprop-1-ynyl)thiophene
CID 114811885
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520992
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107181410
ethyl N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methylcarbamate
CID 54986771
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-N-methyl-2-methylsulfanylacetamide
CID 54986864
2-cyclopropyl-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylacetamide
CID 55032158
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylthiophene-3-carboxamide
CID 79683563

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide (CID 64989411) is N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide is CN(Cc1csc(C#CCN)c1)S(=O)(=O)CC1CC1.
What is the InChIKey of N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The InChIKey is REIQURQPJBGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-15(19(16,17)10-11-4-5-11)8-12-7-13(18-9-12)3-2-6-14/h7,9,11H,4-6,8,10,14H2,1H3.
What are the key properties of N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1-cyclopropyl-N-methylmethanesulfonamide is sourced from PubChem (CID 64989411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).